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1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC
Isomeric SMILES
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C20H19N3O5S2/c1-27-16-7-12-5-6-22(10-13(12)8-17(16)28-2)19(24)11-29-20-21-15-4-3-14(23(25)26)9-18(15)30-20/h3-4,7-9H,5-6,10-11H2,1-2H3
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